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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50062411'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50062411
PNG
(2,2,4-Trimethyl-5-p-tolyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)cc4)c3c12 |t:1|
Show InChI InChI=1S/C26H25NO/c1-16-9-11-18(12-10-16)25-24-20(19-7-5-6-8-22(19)28-25)13-14-21-23(24)17(2)15-26(3,4)27-21/h5-15,25,27H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined on Human glucocorticoid receptor (hAR) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50062411
PNG
(2,2,4-Trimethyl-5-p-tolyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)cc4)c3c12 |t:1|
Show InChI InChI=1S/C26H25NO/c1-16-9-11-18(12-10-16)25-24-20(19-7-5-6-8-22(19)28-25)13-14-21-23(24)17(2)15-26(3,4)27-21/h5-15,25,27H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 294n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity was determined in Human glucocorticoid receptor(hGR) of CV-1 cells in cotransfection assay.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair